1,2,3,6-tetrahydropyridin-2-ol

C5H9NO — CID 154546326

IUPAC1,2,3,6-tetrahydropyridin-2-ol
SMILESOC1CC=CCN1
InChIInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-2,5-7H,3-4H2
InChIKeyMGRCCNWADHAPCD-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.15
Rot. Bonds

About 1,2,3,6-tetrahydropyridin-2-ol

1,2,3,6-tetrahydropyridin-2-ol (PubChem CID 154546326) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-2-ol.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-2-ol
PubChem CID154546326
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1,2,3,6-tetrahydropyridin-2-ol
SMILESOC1CC=CCN1
InChIInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-2,5-7H,3-4H2
InChIKeyMGRCCNWADHAPCD-UHFFFAOYSA-N
XLogP-0.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-Dihydroxy-1,2,3,6-tetrahydropyridine
CID 129720574
1,2,3,6-Tetrahydropyridin-3-ylmethanol
CID 5248001
2-(1,2,3,6-Tetrahydropyridin-5-yl)ethanol
CID 84072823
(1S)-1-(ethylamino)but-3-en-1-ol
CID 88571459
1-(Propylamino)but-3-en-1-ol
CID 121330196
1-(Ethylamino)but-3-en-1-ol
CID 121330208
1-(Pent-3-en-2-ylamino)propan-1-ol
CID 123550077
2-Methoxy-1,2,3,6-tetrahydropyridine
CID 141056370
(E)-6-(propylamino)hex-3-en-1-ol
CID 143703504
(Z)-1-(methylamino)pent-3-en-1-ol
CID 143954579
(2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol
CID 145214295
1,2,3,6-Tetrahydropyridin-6-ol
CID 154296914

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-2-ol?
The IUPAC name of 1,2,3,6-tetrahydropyridin-2-ol (CID 154546326) is 1,2,3,6-tetrahydropyridin-2-ol.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-2-ol?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-2-ol is OC1CC=CCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-2-ol?
The InChIKey is MGRCCNWADHAPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-2,5-7H,3-4H2.
What are the key properties of 1,2,3,6-tetrahydropyridin-2-ol?
1,2,3,6-tetrahydropyridin-2-ol has a molecular weight of 99.13 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridin-2-ol is sourced from PubChem (CID 154546326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).